4-(Butylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(Butylaminocarbonyl)phenylboronic acid
• CAS No.: 252663-48-2
• Molecular Formula: C11H16BNO3
• Molecular Weight: 221.064
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID30378360
• Wikidata: Q82167886
• Mol file: 252663-48-2.mol

Synonyms:252663-48-2;4-(Butylaminocarbonyl)phenylboronic acid;(4-(Butylcarbamoyl)phenyl)boronic acid;[4-(butylcarbamoyl)phenyl]boronic Acid;4-(butylcarbamoyl)phenylboronic acid;4-(Butylcarbamoyl)benzeneboronic acid;(4-(Butylcarbamoyl)phenyl)boronicacid;SCHEMBL387493;DTXSID30378360;N-BUTYL 4-BORONOBENZAMIDE;YPXNMPMFCXGXPU-UHFFFAOYSA-N;MFCD03788412;AKOS015839748;AB15982;PS-9724;CS-0175914;{4-[(butylamino)carbonyl]phenyl}boronic acid;D71318;A853702;4-(butylaminocarbonyl)phenylboronic acid, AldrichCPR;4-[(Butylamino)carbonyl]phenyl]boronic acid

Chemical Property of 4-(Butylaminocarbonyl)phenylboronic acid

Chemical Property:

• Melting Point: 206-210°C
• Refractive Index: 1.533
• PKA: 8.13±0.16(Predicted)
• PSA: 69.56000
• Density: 1.14 g/cm³
• LogP: 0.28720
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.1223235
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

4-(Butylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NCCCC)(O)O

Technology Process of 4-(Butylaminocarbonyl)phenylboronic acid

There total 2 articles about 4-(Butylaminocarbonyl)phenylboronic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

4-carboxyphenylboronic acid (14047-29-1) + N-butylamine (109-73-9,85404-21-3) → 4-n-butylaminocarbonylphenylboronic acid (252663-48-2)

Guidance literature:

4-carboxyphenylboronic acid; With N,N-diethanolaminomethyl polystyrene; In tetrahydrofuran; at 20 ℃; for 2h;

N-butylamine; With benzotriazol-1-ol; diisopropyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

With water; acetic acid; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1002/(SICI)1521-3773(19991018)38:20<3064::AID-ANIE3064>3.0.CO;2-T

Reference yield: 63.0%

→ 4-n-butylaminocarbonylphenylboronic acid (252663-48-2)

Guidance literature:

Reference yield:

(2,4-dibromo-thiophen-3-yl)-acetic acid methyl ester (905838-65-5) + 4-n-butylaminocarbonylphenylboronic acid (252663-48-2) → C18H20BrNO3S

Guidance literature:

With potassium carbonate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride; In 1,4-dioxane; at 45 ℃;

DOI:10.1016/j.bmcl.2007.08.010

upstream raw materials:

4-carboxyphenylboronic acid

N-butylamine

Refernces

• 1、 -. "Preparation and uses of conjugated solid supports for boronic acids". . . Retrieved 2008/06/13.